Mgb-bp-3
1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide
Molecular Identity
Mgb-bp-3
1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide
PubChem CID: 23730143
2D Structure
Properties
C36H37N7O4
Molecular Formula
631.70
Molecular Weight
g/mol
631.2907
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
123
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCN3CCOCC3)C)NC(=O)C4=CC=C(C=C4)C=CC5=CC6=CC=CC=C6N=C5Isomeric SMILES
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCN3CCOCC3)C)NC(=O)C4=CC=C(C=C4)/C=C/C5=CC6=CC=CC=C6N=C5Synonyms(20)
MGB-BP-31000277-08-6MGB-BP3J2.725.402K532PWU97384-((4-(4-((E)-2-(3-Quinolyl)vinyl)benzoylamino)-1-methyl-1H-pyrrole-2-yl)carbonylamino)-1-methyl-N-(2-morpholinoethyl)-1H-pyrrole-2-carboxamide1-methyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]-4-[[4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]pyrrole-2-carboxamide1H-Pyrrole-2-carboxamide, 1-methyl-N-(1-methyl-5-(((2-(4-morpholinyl)ethyl)amino)carbonyl)-1H-pyrrol-3-yl)-4-((4-((1E)-2-(3-quinolinyl)ethenyl)benzoyl)amino)-1-methyl-N-(1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl)-4-((4-((E)-2-quinolin-3-ylethenyl)benzoyl)amino)pyrrole-2-carboxamideRefChem:1584681-methyl-N-(1-methyl-5-((2-(morpholin-4-yl)ethyl)carbamoyl)-1H-pyrrol-3-yl)-4-(4-((E)-2-(quinolin-3-yl)ethenyl)benzamido)-1H-pyrrole-2-carboxamide(E)-1-methyl-4-(1-methyl-4-(4-(2-(quinolin-3-yl)vinyl)benzamido)-1H-pyrrole-2-carboxamido)-N-(2-morpholinoethyl)-1H-pyrrole-2-carboxamideUNII-532PWU9738CHEMBL236345orb2815830
Data from PubChem (NCBI)
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